• 文献标题:   Quantifying Water Friction in Misaligned Graphene Channels under Angstrom Confinements
  • 文献类型:   Article
  • 作  者:   WAGEMANN E, MISRA S, DAS S, MITRA SK
  • 作者关键词:   graphene, water, friction, nanofluidic, molecular dynamic
  • 出版物名称:   ACS APPLIED MATERIALS INTERFACES
  • ISSN:   1944-8244 EI 1944-8252
  • 通讯作者地址:   Univ Waterloo
  • 被引频次:   0
  • DOI:   10.1021/acsami.0c10445
  • 出版年:   2020

▎ 摘  要

Two-dimensional (2D) materials, such as graphene (GE), hold great potential to be employed as the fundamental building blocks of novel nanofluidic devices for a wide range of applications. Recent advances in experimental techniques are materializing such prospects by enabling the assembly of 2D material-based fluidic channels with heights as small as few Angstroms. Here, we conduct molecular dynamics simulations to probe the effect of the relative misalignment between the walls of the GE fluidic channel with Angstroms height on the resistance to water transport through the channel. Two types of misalignments are studied, namely, translational and rotational misalignments. Our results show that the relative misalignment of the GE lattices can lead to a substantial reduction in the friction between water and the channel walls. Moreover, a dependence of the friction on the degree of misalignment and flow direction is found for the cases with translational misalignment. In contrast, the resistance exerted by the channels with rotational misalignment is found to be independent of the rotation angle (theta) for 0 degrees < theta < 60 degrees but always lower than the perfectly aligned case. We associate such lowering of the resistance to water transport to the corrugation and the anisotropy in the corresponding potential energy landscape associated with each degree of misalignment. The findings, therefore, point to an unprecedented possibility of significantly enhancing the water transport in Angstroms height GE channels by engineering the misalignments of the GE channel walls.